SCHEMBL6578392

SCHEMBL6578392

CC(=O)CCC(=O)OC(C)C.CC(C)OC(=O)CCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
SLC15A2 Q16348 1/20 0.33
NOTUM Q6P988 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL155921 0.90 LMNA (0.63) LMNAALDH1A1TSHRMAPTMAPK1
Hydrochloric Acid SCHEMBL6385125 0.88 LMNA (0.61) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL811107 0.88 LMNA (0.54) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL11816713 0.86 LMNA (0.52) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL11062044 0.84 LMNA (0.61) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL3505201 0.84 LMNA (0.67) LMNAALDH1A1TSHRMAPTMAPK1
Isopropyl Alcohol SCHEMBL811815 0.84 LMNA (0.50) LMNAALDH1A1TSHRMAPTGAA
Propylene Glycol SCHEMBL602325 0.82 LMNA (0.46) LMNAALDH1A1TSHRMAPTMAPK1
Hexane SCHEMBL8012017 0.82 LMNA (0.71) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL97399 0.82 LMNA (0.70) LMNAALDH1A1MAPTMAPK1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839541-B1 Coating mixture for surgical articles ETHICON INC (US) 2004-05-06 EP disclosed